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new file: h/HDF5/HDF5-1.12.1-gompi-2021b.eb new file: h/HyperQueue/HyperQueue-0.9.0.eb new file: h/hipSYCL/hipSYCL-0.9.2-filter-cuda-stubs-rpath.patch new file: h/hipSYCL/hipSYCL-0.9.2-gcccuda-2020b.eb new file: t/TB2J/TB2J-7.1.1-Python-3.8.6-GCCcore-10.2.0.eb new file: v/VASP/VASP-6.3.0-intel-2020b-mkl=sequential-march=znver3-karolina.eb new file: v/vaspkit/vaspkit-1.3.3-fix-setup-script.patch new file: v/vaspkit/vaspkit-1.3.3.eb
29 lines
727 B
Plaintext
29 lines
727 B
Plaintext
# IT4INNOVATIONS 2022
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# JK
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easyblock = 'PackedBinary'
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name = 'vaspkit'
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version = '1.3.3'
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homepage = 'https://vaspkit.com/'
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description = """VASPKIT aims at providing a powerful and user-friendly interface to perform high throughput analysis of various material properties from the raw calculated data using the widely-used VASP code."""
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toolchain = SYSTEM
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source_urls = [SOURCEFORGE_SOURCE]
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sources = ['%(namelower)s.%(version)s.linux.x64.tar.gz']
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patches = ['vaspkit-1.3.3-fix-setup-script.patch']
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extract_sources = True
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dependencies = [
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('matplotlib', '3.3.3', '', ('foss', '2020b')),
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]
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skipsteps = ['sanitycheck']
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modluafooter = 'execute{cmd="bash $EBROOTVASPKIT/setup.sh", modeA={"load"}}'
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moduleclass = 'tools'
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